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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50133063'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133063
PNG
(17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.0...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C26H23N3O4/c30-25-23-19-15-28(21-7-3-1-5-17(19)21)9-11-32-13-14-33-12-10-29-16-20(24(23)26(31)27-25)18-6-2-4-8-22(18)29/h1-8,15-16H,9-14H2,(H,27,30,31)
PDB
MMDB

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Article
PubMed
n/an/a 136n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair